SCHEMBL6546964

SCHEMBL6546964

Cc1ccc(C(C)CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.45
NR3C1 P04150 1/20 0.44
RIPK1 Q13546 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6546640 0.92 ALDH1A1 (0.50) ALDH1A1POLBNR3C1RIPK1CYP1A2
SCHEMBL6547394 0.90 CYP1A2 (0.46) ALDH1A1CYP1A2SMN1; SMN2ADRB2KCNH2
SCHEMBL6547354 0.89 ALDH1A1 (0.48) ALDH1A1RIPK1CYP1A2CYP2C19CYP2C9
SCHEMBL1324113 0.88 RIPK1 (0.55) ALDH1A1RIPK1CYP1A2CYP2C19CYP2C9
SCHEMBL29291900 0.85 ACHE (0.45) ALDH1A1CYP1A2CNR1CNR2L3MBTL1
SCHEMBL4952650 0.84 TAAR1 (0.50) ALDH1A1CYP2D6
SCHEMBL6546798 0.83 TP53 (0.52) ALDH1A1RIPK1CYP1A2CYP2C19CYP2C9
SCHEMBL14590349 0.81 LOXL2 (0.50) ALDH1A1RIPK1CYP1A2CYP2C19CYP2C9
SCHEMBL6546301 0.81 SMN1; SMN2 (0.47) ALDH1A1RIPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5313594 0.80 ESR1 (0.53) CNR1CNR2SMN1; SMN2SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed